2-(4-methylphenyl)-1-phenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium

Systemtic Name: 2-(4-methylphenyl)-1-phenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Openeye Name: 1-phenyl-3-phenylsulfanyl-2-(p-tolyl)-5H-pyrazolo[1,2-a]benzotriazol-10-ium CAS Name: 2-(4-methylphenyl)-1-phenyl-3-(phenylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium IUPAC Name: 2-(4-methylphenyl)-1-phenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Traditional Name: 1-phenyl-3-(phenylthio)-2-(p-tolyl)-5H-pyrazolo[1,2-a]benzotriazol-10-ium Formula: C28H22N3S+ MolecularWeight: 432.55938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N3NC4=CC=CC=C4[N+]3=C2C5=CC=CC=C5)SC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N3NC4=CC=CC=C4[N+]3=C2C5=CC=CC=C5)SC6=CC=CC=C6

InChI

InChI=1S/C28H22N3S/c1-20-16-18-21(19-17-20)26-27(22-10-4-2-5-11-22)30-25-15-9-8-14-24(25)29-31(30)28(26)32-23-12-6-3-7-13-23/h2-19,29H,1H3/q+1